Dimethylformamide → Ethyl 3-(1-(4-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-allyloxyindol-2-yl)-2,2dimethylpropionate

HRID 2159462Notes

Reaction equation

[CH2:1]([CH:2]=[CH2:3])[Br:4].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[Cl:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][n:11]2[c:12]([CH2:26][C:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])([CH3:33])[CH3:34])[c:13]([S:21][C:22]([CH3:23])([CH3:24])[CH3:25])[c:14]3[cH:15][c:16]([OH:20])[cH:17][cH:18][c:19]23)[cH:35][cH:36]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[CH2:1]=[CH:2][CH2:3][O:20][c:16]1[cH:15][c:14]2[c:13]([S:21][C:22]([CH3:23])([CH3:24])[CH3:25])[c:12]([CH2:26][C:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])([CH3:33])[CH3:34])[n:11]([CH2:10][c:9]3[cH:8][cH:7][c:6]([Cl:5])[cH:36][cH:35]3)[c:19]2[cH:18][cH:17]1

Participants

Reactant 4

HCID 6228Dimethylformamide

HCID 7841Allyl bromide

HCID 8058Hexane

HCID 19935664Ethyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate

Product 1

HCID 19935665Ethyl 3-(1-(4-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-allyloxyindol-2-yl)-2,2dimethylpropionate

Sources & evidence

ORD record: ord-3f895b1ed6f041fdade64e081a003f4a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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